7-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-3-(2,3-dimethylphenyl)-2-sulfanylidene-1H-quinazolin-4-one

Systemtic Name: 7-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-3-(2,3-dimethylphenyl)-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 7-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-3-(2,3-dimethylphenyl)-2-thioxo-1H-quinazolin-4-one CAS Name: 7-[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]-3-(2,3-dimethylphenyl)-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 7-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-3-(2,3-dimethylphenyl)-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 7-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-3-(2,3-dimethylphenyl)-2-thioxo-1H-quinazolin-4-one Formula: C26H23N3O2S MolecularWeight: 441.54472

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)N4CCC5=CC=CC=C5C4)NC2=S)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)N4CCC5=CC=CC=C5C4)NC2=S)C

InChI

InChI=1S/C26H23N3O2S/c1-16-6-5-9-23(17(16)2)29-25(31)21-11-10-19(14-22(21)27-26(29)32)24(30)28-13-12-18-7-3-4-8-20(18)15-28/h3-11,14H,12-13,15H2,1-2H3,(H,27,32)